Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
study well documented, meets generally accepted scientific principles, acceptable for assessment
Remarks:
Test procedure according to method of Analytical Expert Group ETAD (Ecological and Toxicological Association of Dyes and Organic Pigment Manufacturer)
Cross-reference
Reason / purpose for cross-reference:
reference to same study
Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
comparable to guideline study with acceptable restrictions
Remarks:
test procedure similar to OECD 105
Reason / purpose for cross-reference:
reference to same study
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
yes
Remarks:
modified taking into account the very low water solubility of the test substance
Type of method:
flask method
Water solubility:
2.6 µg/L
Temp.:
23 °C
pH:
ca. 7
Details on results:
The value given refers to room temperature (23-24 °C, see above) and represents the mean from 3 determinations (sigma = 0.1). Individual values were: 2.5, 2.6 and 2.6 µg/L.
Conclusions:
The test substance is practically insoluble in water (< 0.1 mg/L)
Executive summary:

The water solubility at 23-24 °C was 2.6 µg/L.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2007
Report date:
2007

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: ETAD Analytical Expert Group
Version / remarks:
method for substances with very low solubilty in both water and n-octanol
Principles of method if other than guideline:
Determination of solubility in octanol and calculation of log Pow with water solubility
Type of method:
estimation method (solubility ratio)
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2-methoxyphenyl)-3-oxobutyramide]
EC Number:
224-867-1
EC Name:
2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2-methoxyphenyl)-3-oxobutyramide]
Cas Number:
4531-49-1
Molecular formula:
C34H30Cl2N6O6
IUPAC Name:
2,2'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[N-(2-methoxyphenyl)-3-oxobutanamide]
Test material form:
solid: nanoform

Study design

Analytical method:
photometric method

Results and discussion

Partition coefficientopen allclose all
Type:
Pow
Partition coefficient:
2.6
Temp.:
23 °C
pH:
ca. 7
Type:
log Pow
Partition coefficient:
0.4
Temp.:
23 °C
pH:
ca. 7
Details on results:
Pow and log Pow were calculated from equilibrium concentrations in n-octanol (see below) and in water (see section 4.8)

Any other information on results incl. tables

The solubility in n-octanol was determined to be 6.8 µg/L at 23-24°C. This figure represents the mean of 3 determinations (range: 3.2 -10.8 µg/L, sigma = 3.8). The solubility in water was determined to be 2.6 µg/L (section 4.8)

 

These solubilities (equilibrium concentrations considering the tests performed) are used to calculate Pow with the following equation:

Pow = equilibrium concentration in octanol / equilibrium concentration in water

 

Pow = 6.8 µg/L / 2.6 µg/L

Pow = 2.6

log Pow = 0.4

 

Applicant's summary and conclusion

Executive summary:

The log Pow of the test substance was calculated from the equilibrium concentrations in water and in n-octanol. The log Pow at 23-24 °C is 0.4.